5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethyl-1,2,4-thiadiazole

C10H15N3S — CID 14763558

IUPAC5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(C2CN3CCC2C3)n1
InChIInChI=1S/C10H15N3S/c1-2-9-11-10(14-12-9)8-6-13-4-3-7(8)5-13/h7-8H,2-6H2,1H3
InChIKeyDBCPVPWTBWULAO-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.52
Rot. Bonds2

About 5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethyl-1,2,4-thiadiazole

5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethyl-1,2,4-thiadiazole (PubChem CID 14763558) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethyl-1,2,4-thiadiazole
PubChem CID14763558
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(C2CN3CCC2C3)n1
InChIInChI=1S/C10H15N3S/c1-2-9-11-10(14-12-9)8-6-13-4-3-7(8)5-13/h7-8H,2-6H2,1H3
InChIKeyDBCPVPWTBWULAO-UHFFFAOYSA-N
XLogP1.52
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-Azabicyclo[2.2.2]octan-3-yl)-3-methyl-1,2,4-thiadiazole
CID 14763526
5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methyl-1,2,4-thiadiazole
CID 71449169
5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methyl-1,2,4-thiadiazole
CID 71451005
3-Methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazole
CID 14763515
5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 71449170
5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methoxy-1,2,4-thiadiazole
CID 71449198
5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine
CID 71451006
5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 71452811
5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-ethyl-1,2,4-thiadiazole
CID 71454587
5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine
CID 71456289
5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methoxy-1,2,4-thiadiazole
CID 71456290
5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-cyclopropyl-1,2,4-thiadiazole
CID 71458110

Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethyl-1,2,4-thiadiazole (CID 14763558) is 5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethyl-1,2,4-thiadiazole is CCc1nsc(C2CN3CCC2C3)n1.
What is the InChIKey of 5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethyl-1,2,4-thiadiazole?
The InChIKey is DBCPVPWTBWULAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-2-9-11-10(14-12-9)8-6-13-4-3-7(8)5-13/h7-8H,2-6H2,1H3.
What are the key properties of 5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethyl-1,2,4-thiadiazole?
5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethyl-1,2,4-thiadiazole has a molecular weight of 209.32 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 14763558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).